Geometry & MOs

Info

ID:	325986
PubChem CID:	126685905
Reduced:	ClSO2N4C23H25 (1)
Stoich.:	ABC2D4E23F25 (1)
Weight, g/mol:	164.104859
ΔH_f, kcal/mol:	-12.78
Dipole, Da:	9.41
IP(EA), eV:	-9.55(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyhexane-1,3,4-triol

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OCC(C)C)C4=CC=C(C=C4)Cl)C

DOS

IR

Vibrations